| SpectraBase Spectrum ID |
2yvBhoOgVwv |
| Name |
(2R,3R)-3-Cyano-N-isopropyl-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.147726862 u |
| Formula |
C16H19N3O2 |
| InChI |
InChI=1S/C16H19N3O2/c1-11(2)18-15(21)16(10-17)9-13(20)19(3)14(16)12-7-5-4-6-8-12/h4-8,11,14H,9H2,1-3H3,(H,18,21)/t14-,16+/m1/s1 |
| InChIKey |
YPLWHHBVQGWOKF-ZBFHGGJFSA-N |
| SMILES |
[C@]1(N(C(C[C@]1(C(=O)NC(C)C)C#N)=O)C)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836827 |
